| SpectraBase Compound ID | ClDRLnjKQ8v |
|---|---|
| InChI | InChI=1S/C21H33NO3/c1-3-22-10-19(2)6-5-15(23)21-12-8-11-4-7-20(25,16(12)17(11)24)13(18(21)22)9-14(19)21/h11-18,23-25H,3-10H2,1-2H3/t11-,12+,13-,14+,15-,16+,17-,18?,19-,20-,21+/m0/s1 |
| InChIKey | RQWUCKAGEHUROY-LBEIYTMNSA-N |
| Mol Weight | 347.5 g/mol |
| Molecular Formula | C21H33NO3 |
| Exact Mass | 347.246044 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5vHarouT1OY |
|---|---|
| Name | Cardiopetaline |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H33NO3 |
| InChI | InChI=1S/C21H33NO3/c1-3-22-10-19(2)6-5-15(23)21-12-8-11-4-7-20(25,16(12)17(11)24)13(18(21)22)9-14(19)21/h11-18,23-25H,3-10H2,1-2H3/t11-,12+,13-,14+,15-,16+,17-,18?,19-,20-,21+/m0/s1 |
| InChIKey | RQWUCKAGEHUROY-LBEIYTMNSA-N |
| Molecular Weight | 347.499 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(C[C@]4(C([C@@]13[C@]1([C@]3([C@@]4(CC[C@](C1)([H])[C@@]3(O)[H])O)[H])[H])N(C2)CC)[H])[H])C)[H] |
| SPLASH | splash10-001i-0009000000-50da2e98ab174f242b0b |
| Source of Spectrum | X4-21-495-0 |
| Wiley ID | 1585896 |